2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine

C16H26N2O — CID 82142990

IUPAC2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCC(C)c1ccc2c(c1)N(C(C)CN)CC(C)(C)O2
InChIInChI=1S/C16H26N2O/c1-11(2)13-6-7-15-14(8-13)18(12(3)9-17)10-16(4,5)19-15/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyDGSYMPMWJPZJOY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.13
Rot. Bonds3

About 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine

2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine (PubChem CID 82142990) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine
PubChem CID82142990
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCC(C)c1ccc2c(c1)N(C(C)CN)CC(C)(C)O2
InChIInChI=1S/C16H26N2O/c1-11(2)13-6-7-15-14(8-13)18(12(3)9-17)10-16(4,5)19-15/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyDGSYMPMWJPZJOY-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142991
2-[2,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-amine
CID 82142993
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine
CID 82086635
2,2-dimethyl-4-propan-2-yl-3H-1,4-benzoxazine-6-sulfonyl chloride
CID 82340378
2-(6-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)propanoic acid
CID 82142614
2-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)propan-1-amine
CID 117096978
1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340334
4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid
CID 82046108
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
1-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)propan-1-one
CID 82340291
ethane;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole
CID 145165904

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine?
The IUPAC name of 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine (CID 82142990) is 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine?
The canonical SMILES for 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine is CC(C)c1ccc2c(c1)N(C(C)CN)CC(C)(C)O2.
What is the InChIKey of 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine?
The InChIKey is DGSYMPMWJPZJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)13-6-7-15-14(8-13)18(12(3)9-17)10-16(4,5)19-15/h6-8,11-12H,9-10,17H2,1-5H3.
What are the key properties of 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine?
2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine is sourced from PubChem (CID 82142990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).